12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one

C18H28O3 — CID 15031564

IUPAC12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCCCC2
InChIInChI=1S/C18H28O3/c1-20-16-13-17(19)18(21-2)12-10-8-6-4-3-5-7-9-11-15(16)14-18/h13-14H,3-12H2,1-2H3
InChIKeyZWTMPUJQICXHSR-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.33
Rot. Bonds2

About 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one

12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one (PubChem CID 15031564) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one.

Molecular Properties

Compound Name12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one
PubChem CID15031564
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one
SMILESCOC1=CC(=O)C2(OC)C=C1CCCCCCCCCC2
InChIInChI=1S/C18H28O3/c1-20-16-13-17(19)18(21-2)12-10-8-6-4-3-5-7-9-11-15(16)14-18/h13-14H,3-12H2,1-2H3
InChIKeyZWTMPUJQICXHSR-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(inverted exclamation markA)-CBCQ
CID 146657629
(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
(1R,3R,6Z,10S)-3,7,10,11,11,14-hexamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,13-triene-8,15-dione
CID 71740946
Scopranone Beta
CID 139591105
(9R)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007671
2-Butyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593193
(5R,8S)-2-methoxy-3,8-dimethyl-5-[(2S,4E)-6-methylhepta-4,6-dien-2-yl]-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 11336418
3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
(1-Dodecyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 14682045
(1E)-5,6-dimethoxy-1-pentylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004560
(1-Hexyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134994779

Frequently Asked Questions

What is the IUPAC name of 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one?
The IUPAC name of 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one (CID 15031564) is 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one.
What is the SMILES notation for 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one?
The canonical SMILES for 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one is COC1=CC(=O)C2(OC)C=C1CCCCCCCCCC2.
What is the InChIKey of 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one?
The InChIKey is ZWTMPUJQICXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-20-16-13-17(19)18(21-2)12-10-8-6-4-3-5-7-9-11-15(16)14-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one?
12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one has a molecular weight of 292.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one is sourced from PubChem (CID 15031564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).